3-Bromo-4-fluorophenol

C₆H₄BrFOCAS 27407-11-0191.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄BrFO
Molar mass: 191.00 g/mol
Exact mass: 189.9430 Da
logP: 2.29Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

27407-11-0

SMILES

C1=CC(=C(C=C1O)Br)F

InChIKey

QWTULQLVGNZMLF-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

Weigh it out

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Work with 3-Bromo-4-fluorophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dibromo-1-fluorobenzene1435-53-662 % similar 3,4-Difluorophenol2713-33-960 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-356 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 2-Bromo-1,4-benzenediol583-69-756 % similar 3-Bromo-4-chlorophenol13659-24-052 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-152 % similar 3-Chloro-4-fluorophenol2613-23-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-2-fluorophenol112204-58-7 4-Bromo-3-fluorophenol121219-03-2 2-Bromo-5-fluorophenol147460-41-1 3-Bromo-2-fluorophenol156682-53-0 2-Bromo-6-fluorophenol2040-89-3 4-Bromo-2-fluorophenol2105-94-4 3-Bromo-5-fluorophenol433939-27-6 2-Bromo-3-fluorophenol443-81-2

Elsewhere

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